(2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-phenoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-[(4-phenoxyphenyl)thio]propionamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N(CCN(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N(CCN(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O3S/c1-22(32)29-27(28(33)31(19-18-30(2)3)20-23-10-6-4-7-11-23)21-35-26-16-14-25(15-17-26)34-24-12-8-5-9-13-24/h4-17,27H,18-21H2,1-3H3,(H,29,32)/t27-/m1/s1